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methyl 5-bromanyl-2-[1-(butylamino)butyl]benzoate

methyl 5-bromanyl-2-[1-(butylamino)butyl]benzoate

Systemtic Name:methyl 5-bromanyl-2-[1-(butylamino)butyl]benzoate
Openeye Name:methyl 5-bromo-2-[1-(butylamino)butyl]benzoate
CAS Name:5-bromo-2-[1-(butylamino)butyl]benzoic acid methyl ester
IUPAC Name:methyl 5-bromo-2-[1-(butylamino)butyl]benzoate
Traditional Name:5-bromo-2-[1-(butylamino)butyl]benzoic acid methyl ester
Formula: C16H24BrNO2
MolecularWeight: 342.27126
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CCC)C1=C(C=C(C=C1)Br)C(=O)OC


Isomeric SMILES

CCCCNC(CCC)C1=C(C=C(C=C1)Br)C(=O)OC


InChI

InChI=1S/C16H24BrNO2/c1-4-6-10-18-15(7-5-2)13-9-8-12(17)11-14(13)16(19)20-3/h8-9,11,15,18H,4-7,10H2,1-3H3


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